Chemical Properties of Terephthalic acid, 2-phenoxyethyl propyl ester

InChI

InChI=1S/C19H20O5/c1-2-12-23-18(20)15-8-10-16(11-9-15)19(21)24-14-13-22-17-6-4-3-5-7-17/h3-11H,2,12-14H2,1H3

InChI Key

MXSLLNMGOXPAKV-UHFFFAOYSA-N

Formula

C19H20O5

SMILES

CCCOC(=O)c1ccc(C(=O)OCCOc2ccccc2)cc1

Molecular Weight¹

328.36

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9133		Relay (1.0) Calculated Property
ΔfH°gas	-706.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.42	kJ/mol	Joback Calculated Property
ΔvapH°	109.97	kJ/mol	Relay (1.0) Calculated Property
IE	8.62	eV	Relay (1.0) Calculated Property
log10WS	-4.99		Relay (1.0) Calculated Property
logPoct/wat	3.489		Crippen Calculated Property
McVol	251.800	ml/mol	McGowan Calculated Property
Pc	1857.91	kPa	Joback Calculated Property
Inp	[2675.00; 2675.00]
Inp	2675.00		NIST
Inp	2675.00		NIST
Tboil	673.04	K	Relay (1.0) Calculated Property
Tc	890.28	K	Relay (1.0) Calculated Property
Tfus	332.45	K	Relay (1.0) Calculated Property
Vc	0.938	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[751.41; 812.34]	J/mol×K	[867.46; 1091.97]
Cp,gas	751.41	J/mol×K	867.46	Joback Calculated Property
Cp,gas	764.83	J/mol×K	904.88	Joback Calculated Property
Cp,gas	776.93	J/mol×K	942.30	Joback Calculated Property
Cp,gas	787.70	J/mol×K	979.72	Joback Calculated Property
Cp,gas	797.19	J/mol×K	1017.14	Joback Calculated Property
Cp,gas	805.39	J/mol×K	1054.56	Joback Calculated Property
Cp,gas	812.34	J/mol×K	1091.97	Joback Calculated Property
η	[0.0000485; 0.0004045]	Pa×s	[535.80; 867.46]
η	0.0004045	Pa×s	535.80	Joback Calculated Property
η	0.0002407	Pa×s	591.08	Joback Calculated Property
η	0.0001566	Pa×s	646.35	Joback Calculated Property
η	0.0001090	Pa×s	701.63	Joback Calculated Property
η	0.0000799	Pa×s	756.91	Joback Calculated Property
η	0.0000612	Pa×s	812.18	Joback Calculated Property
η	0.0000485	Pa×s	867.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 2-phenoxyethyl propyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.